Vitas-M small molecule compound
ethyl 2-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK674229
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1ccc(c(c1)OC)OC)N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H35N3O5S MW 561.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O5S/c1-6-39-30(36)26-18-9-7-8-10-24(18)40-29(26)34-20-14-31(2,3)15-21(35)27(20)25(19(16-32)28(34)33)17-11-12-22(37-4)23(13-17)38-5/h11-13,25H,6-10,14-15,33H2,1-5H3InChIKey
QNJBDVCWCMUQRI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)CC(C4)(C)C
ethyl2(2amino3cyano4(34dimethoxyphenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino3cyano4(34dimethoxyphenyl)77dimethyl5oxo68dihydro4Hquinolin1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC31H35N3O5Sc163930(36)26189781024(18)4029(26)34201431(23)1521(35)27(20)25(19(1632)28(34)33)17111222(374)23(1317)385h111325H610141533H215H3
MFCD01305070
ZINC000001059991
ZINC000001059993
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